2-[(7-but-2-ynyl-6-oxidanylidene-1-phenethyl-8-piperazin-1-yl-purin-2-yl)amino]ethanamide

Systemtic Name: 2-[(7-but-2-ynyl-6-oxidanylidene-1-phenethyl-8-piperazin-1-yl-purin-2-yl)amino]ethanamide Openeye Name: 2-[(7-but-2-ynyl-6-oxo-1-phenethyl-8-piperazin-1-yl-purin-2-yl)amino]acetamide CAS Name: 2-[[7-but-2-ynyl-6-oxo-1-phenethyl-8-(1-piperazinyl)-2-purinyl]amino]acetamide IUPAC Name: 2-[(7-but-2-ynyl-6-oxo-1-phenethyl-8-piperazin-1-ylpurin-2-yl)amino]acetamide Traditional Name: 2-[(7-but-2-ynyl-6-keto-1-phenethyl-8-piperazino-purin-2-yl)amino]acetamide Formula: C23H28N8O2 MolecularWeight: 448.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)CCC3=CC=CC=C3)NCC(=O)N)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)CCC3=CC=CC=C3)NCC(=O)N)N=C1N4CCNCC4

InChI

InChI=1S/C23H28N8O2/c1-2-3-12-30-19-20(28-23(30)29-14-10-25-11-15-29)27-22(26-16-18(24)32)31(21(19)33)13-9-17-7-5-4-6-8-17/h4-8,25H,9-16H2,1H3,(H2,24,32)(H,26,27)